ethyl 3-butyl-5-[(carbamimidoylsulfanyl)methyl]-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1)
Chemical Structure Depiction of
ethyl 3-butyl-5-[(carbamimidoylsulfanyl)methyl]-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1)
ethyl 3-butyl-5-[(carbamimidoylsulfanyl)methyl]-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 3869-0019 |
| Compound Name: | ethyl 3-butyl-5-[(carbamimidoylsulfanyl)methyl]-2-oxooxolane-3-carboxylate--hydrogen bromide (1/1) |
| Molecular Weight: | 383.3 |
| Molecular Formula: | C13 H22 N2 O4 S |
| Salt: | HBr |
| Smiles: | CCCCC1(CC(CSC(N)=N)OC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9109 |
| logD: | 0.952 |
| logSw: | -2.2748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.467 |
| InChI Key: | VBPUCZORUYLSTE-UHFFFAOYSA-N |